577697-46-2
N-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD04027702
【English Synonyms】
【Formula】
C19H21N5OS
【MolWeight】
367.475
【Inchi】
InChI=1S/C19H21N5OS/c1-3-14-8-10-15(11-9-14)21-17(25)13-26-19-23-22-18(24(19)4-2)16-7-5-6-12-20-16/h5-12H,3-4,13H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=AGIBLYOMRHHLJJ-UHFFFAOYSA-N
【SMILES】
CCN1C(SCC(=O)NC2=CC=C(CC)C=C2)=NN=C1C1=NC=CC=C1
【MOL File】
N-(4-ETHYLPHENYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.3
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml